Studies on docking score optimization task has started very recently. Jeon et al. [1]} developed MORLD, a atom-based generative model guided by MolDQN algorithm [2]}. Olivecrona et al. [3]} and Thomas et al. [4]} utilized REINVENT[5]}, a simplified molecular-input line-entry system (SMILES)-based model generative model guided by improved REINFORCE algorithm [6]} to generate hit molecules.
